2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C25H25F2N5O4 — CID 66604141

IUPAC2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCOc1nc(-c2nnc3n2CCCC3(Oc2cc(F)cc(F)c2)C(C)(C)O)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H25F2N5O4/c1-14-28-13-20(35-14)18-6-7-19(29-22(18)34-4)21-30-31-23-25(24(2,3)33,8-5-9-32(21)23)36-17-11-15(26)10-16(27)12-17/h6-7,10-13,33H,5,8-9H2,1-4H3
InChIKeyVHSBPUSWQZFUEP-UHFFFAOYSA-N
MW497.50 g/mol
LogP4.43
Rot. Bonds6

About 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 66604141) has the molecular formula C25H25F2N5O4 and a molecular weight of 497.50 g/mol. Its IUPAC name is 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID66604141
Molecular FormulaC25H25F2N5O4
Molecular Weight497.50 g/mol
Exact Mass497.19
IUPAC Name2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCOc1nc(-c2nnc3n2CCCC3(Oc2cc(F)cc(F)c2)C(C)(C)O)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H25F2N5O4/c1-14-28-13-20(35-14)18-6-7-19(29-22(18)34-4)21-30-31-23-25(24(2,3)33,8-5-9-32(21)23)36-17-11-15(26)10-16(27)12-17/h6-7,10-13,33H,5,8-9H2,1-4H3
InChIKeyVHSBPUSWQZFUEP-UHFFFAOYSA-N
XLogP4.43
TPSA108.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 66604141) is 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is COc1nc(-c2nnc3n2CCCC3(Oc2cc(F)cc(F)c2)C(C)(C)O)ccc1-c1cnc(C)o1.
What is the InChIKey of 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is VHSBPUSWQZFUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4/c1-14-28-13-20(35-14)18-6-7-19(29-22(18)34-4)21-30-31-23-25(24(2,3)33,8-5-9-32(21)23)36-17-11-15(26)10-16(27)12-17/h6-7,10-13,33H,5,8-9H2,1-4H3.
What are the key properties of 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 497.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3,5-difluorophenoxy)-3-[6-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 66604141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).